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Trans-S-Methoprene-Epoxide

CAT: 1596-AR-M01594-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M01594-01Size:10 Units
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CAS Number
65277-96-5
Synonyms
(E) -isopropyl3- ((2R,3S) -3- ((S) -6-methoxy-2,6-dimethylheptyl) oxiran-2-yl) but-2-enoate; trans-S-Methoprene-Epoxide
Molecular Formula
C19H34O4
Molecular Weight
326.48
API Name
Methoprene

Chemical Information

propan-2-yl (E)-3-[(2S,3S)-3-(6-methoxy-2,6-dimethylheptyl)oxiran-2-yl]but-2-enoate
CAS Number65277-96-5
PubChem CID131668418
IUPAC Namepropan-2-yl (E)-3-[(2S,3S)-3-(6-methoxy-2,6-dimethylheptyl)oxiran-2-yl]but-2-enoate
Molecular FormulaC19H34O4
Molecular Weight326.5
XLogP4.4
Topological Polar Surface Area48.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count23
Formal Charge0
Complexity412
SMILES
CC(C)OC(=O)/C=C(\C)/[C@H]1[C@@H](O1)CC(C)CCCC(C)(C)OC
InChI
InChI=1S/C19H34O4/c1-13(2)22-17(20)12-15(4)18-16(23-18)11-14(3)9-8-10-19(5,6)21-7/h12-14,16,18H,8-11H2,1-7H3/b15-12+/t14?,16-,18-/m0/s1
InChIKey
MJAXFRRFHMMZEL-KZCVOZDMSA-N
Chemical Structure
2D Structure
2D structure of propan-2-yl (E)-3-[(2S,3S)-3-(6-methoxy-2,6-dimethylheptyl)oxiran-2-yl]but-2-enoate
CAS: 65277-96-5
CID: 131668418
Formula: C19H34O4
MW: 326.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.5
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass326.24570956
Monoisotopic Mass326.24570956
Topological Polar Surface Area48.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity412
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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